General Information of the Compound
Compound ID
CP0506424
Compound Name
N-(4-phenyl-1,3-thiazol-2-yl)-6-(sulfamoylamino)hexanamide
    Show/Hide
Structure
Formula
C15H20N4O3S2
Molecular Weight
368.484
Canonical SMILES
NS(=O)(=O)NCCCCCC(=O)Nc1nc(cs1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C15H20N4O3S2/c16-24(21,22)17-10-6-2-5-9-14(20)19-15-18-13(11-23-15)12-7-3-1-4-8-12/h1,3-4,7-8,11,17H,2,5-6,9-10H2,(H2,16,21,22)(H,18,19,20)
    Show/Hide
InChIKey
FURLAGKXPNAXQK-UHFFFAOYSA-N
Physicochemical Property
logP
2.1021
Rotatable Bonds
9
Heavy Atom Count
24
Polar Areas
114.18
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
24

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44593559
ChEMBL ID
CHEMBL493347
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00991, Histone deacetylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS